SCHEMBL16373870

SCHEMBL16373870

C=C[C@]1(CO)OC(n2cnc3c(=O)[nH]c(N)nc32)[C@H](F)[C@@H]1O

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 1/20 0.50
▸ STING1 Q86WV6 11/20 0.47
▸ PDE3B Q13370 1/20 0.46
▸ PDE3A Q14432 1/20 0.46
▸ HINT1 P49773 2/20 0.45
▸ NT5E P21589 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16490098 1.00 ADORA3 (0.50) ADORA3STING1PDE3BPDE3AHINT1
SCHEMBL20879383 1.00 ADORA3 (0.50) ADORA3STING1PDE3BPDE3AHINT1
SCHEMBL15052858 1.00 ADORA3 (0.50) ADORA3STING1PDE3BPDE3AHINT1
SCHEMBL26793927 1.00 ADORA3 (0.50) ADORA3STING1PDE3BPDE3AHINT1
SCHEMBL15052857 1.00 ADORA3 (0.50) ADORA3STING1PDE3BPDE3AHINT1
SCHEMBL17641512 0.90 ADORA3 (0.54) ADORA3STING1PDE3BPDE3AHINT1
SCHEMBL15070301 0.89 HPGD (0.41) ADORA3STING1PDE3BPDE3AHINT1
SCHEMBL15966105 0.85 STING1 (0.49) ADORA3STING1PDE3BPDE3AHINT1
SCHEMBL16144340 0.84 ADORA3 (0.53) ADORA3STING1PDE3BPDE3AHINT1
SCHEMBL23520033 0.83 ADORA3 (0.55) ADORA3STING1PDE3BPDE3AHINT1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160331770-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF Janssen Biopharma, Inc. 2016-11-17 — — US disclosed
WO-2014209979-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF ALIOS BIOPHARMA, INC. (US) 2014-12-31 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20160331770-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NT5C3B, ADAR ADORA3 59/4885STING1 301/4885PDE3B 310/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

Send feedback